2-amino-N,N-dipentyl-1,3-thiazole-4-carboxamide

C14H25N3OS — CID 62788074

IUPAC2-amino-N,N-dipentyl-1,3-thiazole-4-carboxamide
SMILESCCCCCN(CCCCC)C(=O)c1csc(N)n1
InChIInChI=1S/C14H25N3OS/c1-3-5-7-9-17(10-8-6-4-2)13(18)12-11-19-14(15)16-12/h11H,3-10H2,1-2H3,(H2,15,16)
InChIKeyZKLXDZHWFGKQDE-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.55
Rot. Bonds9

About 2-amino-N,N-dipentyl-1,3-thiazole-4-carboxamide

2-amino-N,N-dipentyl-1,3-thiazole-4-carboxamide (PubChem CID 62788074) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-amino-N,N-dipentyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N,N-dipentyl-1,3-thiazole-4-carboxamide
PubChem CID62788074
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name2-amino-N,N-dipentyl-1,3-thiazole-4-carboxamide
SMILESCCCCCN(CCCCC)C(=O)c1csc(N)n1
InChIInChI=1S/C14H25N3OS/c1-3-5-7-9-17(10-8-6-4-2)13(18)12-11-19-14(15)16-12/h11H,3-10H2,1-2H3,(H2,15,16)
InChIKeyZKLXDZHWFGKQDE-UHFFFAOYSA-N
XLogP3.55
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-ethyl-N-propyl-1,3-thiazole-4-carboxamide
CID 62788191
1-(2-amino-1,3-thiazol-4-yl)hexan-1-one
CID 102530242
3-[(2-amino-1,3-thiazole-4-carbonyl)-ethylamino]propanoic acid
CID 62788466
2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 62787721
2-amino-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 63692953
2-amino-N-ethyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 62788372
2-N,2-N,6-N,6-N-tetrahexylpyridine-2,6-dicarboxamide
CID 4094249
2-amino-N-methyl-N-pentan-3-yl-1,3-thiazole-4-carboxamide
CID 62789071
N-butyl-N-(2-chloroethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198714
1-(2-amino-1,3-thiazol-4-yl)butan-1-one
CID 13040576
2-amino-N-[3-(diethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 55116109
(2-amino-1,3-thiazol-4-yl)-(4-butylphenyl)methanone
CID 94692761

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-dipentyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N,N-dipentyl-1,3-thiazole-4-carboxamide (CID 62788074) is 2-amino-N,N-dipentyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N,N-dipentyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N,N-dipentyl-1,3-thiazole-4-carboxamide is CCCCCN(CCCCC)C(=O)c1csc(N)n1.
What is the InChIKey of 2-amino-N,N-dipentyl-1,3-thiazole-4-carboxamide?
The InChIKey is ZKLXDZHWFGKQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-3-5-7-9-17(10-8-6-4-2)13(18)12-11-19-14(15)16-12/h11H,3-10H2,1-2H3,(H2,15,16).
What are the key properties of 2-amino-N,N-dipentyl-1,3-thiazole-4-carboxamide?
2-amino-N,N-dipentyl-1,3-thiazole-4-carboxamide has a molecular weight of 283.44 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-dipentyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62788074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).